1-[(2-Chloroethyl)sulfonyl]-3-(trifluoromethyl)benzene

C₉H₈ClF₃O₂SCAS 175203-09-5272.67 g/mol

Open in Covalent MOL file

Halogen Sulfone

Properties

Molecular formula: C₉H₈ClF₃O₂S
Molar mass: 272.67 g/mol
Exact mass: 271.9886 Da
logP: 2.72Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

175203-09-5

SMILES

O=S(=O)(CCCl)c1cccc(C(F)(F)F)c1

InChIKey

YUZZZNBYRRMSPV-UHFFFAOYSA-N

InChI

InChI=1S/C9H8ClF3O2S/c10-4-5-16(14,15)8-3-1-2-7(6-8)9(11,12)13/h1-3,6H,4-5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Benzene, 1-[(2-chloroethyl)sulfonyl]-3-(trifluoromethyl)-
1-(2-Chloroethylsulfonyl)-3-trifluoromethylbenzene

Work with 1-[(2-Chloroethyl)sulfonyl]-3-(trifluoromethyl)benzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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